CID 97048159

Rac-(2r,3s)-2-(4-chlorophenyl)oxolan-3-amine

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1CO[C@H]([C@@H]1N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H12ClNO/c11-8-3-1-7(2-4-8)10-9(12)5-6-13-10/h1-4,9-10H,5-6,12H2/t9-,10+/m1/s1
InChIKey
XTUXGVWPTSFKFT-ZJUUUORDSA-N
Compound name
(2S,3R)-2-(4-chlorophenyl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06075 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 142.5
[M+Na]+ 220.049968 150.6
[M-H]- 196.053474 149.3
[M+NH4]+ 215.094573 162.7
[M+K]+ 236.023908 147.2
[M+H-H2O]+ 180.058010 137.1
[M+HCOO]- 242.058951 161.1
[M+CH3COO]- 256.074601 156.0
[M+Na-2H]- 218.035416 146.3
[M]+ 197.06020142 141.2
[M]- 197.06129858 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.